N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide

C28H33N7O — CID 57172673

IUPACN-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide
SMILESCN(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3c(NC=O)cccc3[nH]2)cn1
InChIInChI=1S/C28H33N7O/c1-33(13-6-14-34-15-17-35(18-16-34)20-22-7-3-2-4-8-22)26-12-11-23(19-29-26)28-31-25-10-5-9-24(30-21-36)27(25)32-28/h2-5,7-12,19,21H,6,13-18,20H2,1H3,(H,30,36)(H,31,32)
InChIKeyBMFGJMBFMGVPOC-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.84
Rot. Bonds10

About N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide

N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide (PubChem CID 57172673) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide
PubChem CID57172673
Molecular FormulaC28H33N7O
Molecular Weight483.62 g/mol
Exact Mass483.27
IUPAC NameN-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide
SMILESCN(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3c(NC=O)cccc3[nH]2)cn1
InChIInChI=1S/C28H33N7O/c1-33(13-6-14-34-15-17-35(18-16-34)20-22-7-3-2-4-8-22)26-12-11-23(19-29-26)28-31-25-10-5-9-24(30-21-36)27(25)32-28/h2-5,7-12,19,21H,6,13-18,20H2,1H3,(H,30,36)(H,31,32)
InChIKeyBMFGJMBFMGVPOC-UHFFFAOYSA-N
XLogP3.84
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[6-[3-(4-ethyl-1,4-diazepan-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433135
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]formamide
CID 56980971
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493
N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide
CID 57198710
3-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 44526364
2-[4-[[3-[[4-[6-[methyl-[4-(methylamino)butyl]amino]-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]methyl]piperazin-1-yl]acetic acid
CID 126497735
2-[4-[3-(4-benzylpiperazin-1-yl)propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432959
6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
CID 70610869
N-benzyl-2-[4-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]imidazol-1-yl]ethanamine
CID 11685364
N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide
CID 57064361
2-[4-[[3-[[4-[6-[methyl-[3-(methylamino)propyl]amino]-3-pyridinyl]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]acetic acid
CID 118429405
6-[4-(4-benzylpiperazin-1-yl)butyl]-3-hydroxypyridine-2-carbaldehyde
CID 162785853

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide?
The IUPAC name of N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide (CID 57172673) is N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide.
What is the SMILES notation for N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide?
The canonical SMILES for N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide is CN(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3c(NC=O)cccc3[nH]2)cn1.
What is the InChIKey of N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide?
The InChIKey is BMFGJMBFMGVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-33(13-6-14-34-15-17-35(18-16-34)20-22-7-3-2-4-8-22)26-12-11-23(19-29-26)28-31-25-10-5-9-24(30-21-36)27(25)32-28/h2-5,7-12,19,21H,6,13-18,20H2,1H3,(H,30,36)(H,31,32).
What are the key properties of N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide?
N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide has a molecular weight of 483.62 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[3-(4-benzylpiperazin-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazol-4-yl]formamide is sourced from PubChem (CID 57172673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).