N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine

C34H35N7O — CID 24983430

IUPACN-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1cc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)ccn1
InChIInChI=1S/C34H35N7O/c1-34(2,22-41(3)4)21-37-31-20-23(17-19-35-31)24-12-9-18-36-32(24)42-30-16-15-27(25-10-5-6-11-26(25)30)38-33-39-28-13-7-8-14-29(28)40-33/h5-20H,21-22H2,1-4H3,(H,35,37)(H2,38,39,40)
InChIKeyRJBMRCPJTSQZSN-UHFFFAOYSA-N
MW557.70 g/mol
LogP7.71
Rot. Bonds10

About N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 24983430) has the molecular formula C34H35N7O and a molecular weight of 557.70 g/mol. Its IUPAC name is N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID24983430
Molecular FormulaC34H35N7O
Molecular Weight557.70 g/mol
Exact Mass557.29
IUPAC NameN-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1cc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)ccn1
InChIInChI=1S/C34H35N7O/c1-34(2,22-41(3)4)21-37-31-20-23(17-19-35-31)24-12-9-18-36-32(24)42-30-16-15-27(25-10-5-6-11-26(25)30)38-33-39-28-13-7-8-14-29(28)40-33/h5-20H,21-22H2,1-4H3,(H,35,37)(H2,38,39,40)
InChIKeyRJBMRCPJTSQZSN-UHFFFAOYSA-N
XLogP7.71
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 57.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[3-[2-[(1-methylpiperidin-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 118721233
N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine
CID 24983278
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
CID 11337855
N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine
CID 59327050
N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine
CID 46830612
N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine
CID 11463953
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
6-[1-(benzylamino)ethyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 69293022
6-tert-butyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
CID 11441710
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 24983430) is N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1cc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)ccn1.
What is the InChIKey of N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is RJBMRCPJTSQZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O/c1-34(2,22-41(3)4)21-37-31-20-23(17-19-35-31)24-12-9-18-36-32(24)42-30-16-15-27(25-10-5-6-11-26(25)30)38-33-39-28-13-7-8-14-29(28)40-33/h5-20H,21-22H2,1-4H3,(H,35,37)(H2,38,39,40).
What are the key properties of N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 557.70 g/mol, XLogP of 7.71, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1H-benzimidazol-2-ylamino)naphthalen-1-yl]oxy-3-pyridinyl]-2-pyridinyl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 24983430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).