N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C22H29N3 — CID 168553825

IUPACN-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(Cc1ccccc1-c1nc2ccccc2[nH]1)CC(C)C
InChIInChI=1S/C22H29N3/c1-16(2)13-25(14-17(3)4)15-18-9-5-6-10-19(18)22-23-20-11-7-8-12-21(20)24-22/h5-12,16-17H,13-15H2,1-4H3,(H,23,24)
InChIKeyCPKSPMIRQQEZQF-UHFFFAOYSA-N
MW335.50 g/mol
LogP5.34
Rot. Bonds7

About N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 168553825) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID168553825
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC NameN-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(Cc1ccccc1-c1nc2ccccc2[nH]1)CC(C)C
InChIInChI=1S/C22H29N3/c1-16(2)13-25(14-17(3)4)15-18-9-5-6-10-19(18)22-23-20-11-7-8-12-21(20)24-22/h5-12,16-17H,13-15H2,1-4H3,(H,23,24)
InChIKeyCPKSPMIRQQEZQF-UHFFFAOYSA-N
XLogP5.34
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
CID 19166734
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
CID 63066089
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 738998
4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine
CID 168553666
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553858
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 168553825) is N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CN(Cc1ccccc1-c1nc2ccccc2[nH]1)CC(C)C.
What is the InChIKey of N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is CPKSPMIRQQEZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-16(2)13-25(14-17(3)4)15-18-9-5-6-10-19(18)22-23-20-11-7-8-12-21(20)24-22/h5-12,16-17H,13-15H2,1-4H3,(H,23,24).
What are the key properties of N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 335.50 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 168553825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).