N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide

C18H20N4O — CID 166563053

IUPACN-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
SMILESNCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O/c19-12-6-11-16(22-18(23)13-7-2-1-3-8-13)17-20-14-9-4-5-10-15(14)21-17/h1-5,7-10,16H,6,11-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyUQUIZTBPNGPYOJ-INIZCTEOSA-N
MW308.38 g/mol
LogP2.77
Rot. Bonds6

About N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide

N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide (PubChem CID 166563053) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
PubChem CID166563053
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
SMILESNCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O/c19-12-6-11-16(22-18(23)13-7-2-1-3-8-13)17-20-14-9-4-5-10-15(14)21-17/h1-5,7-10,16H,6,11-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyUQUIZTBPNGPYOJ-INIZCTEOSA-N
XLogP2.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide
CID 142932537
N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
CID 3484106
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzamide
CID 3762861
N-[4-(1-aminoprop-2-enylideneamino)-1-(1H-benzimidazol-2-yl)butyl]-4-phenylbenzamide
CID 176698881
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
CID 948873
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
4-amino-N-[4-[(1-amino-2-chloroethylidene)amino]-1-(1H-benzimidazol-2-yl)butyl]benzamide;4-aminophenol
CID 176698834
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-ethylbenzamide
CID 4807139
N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide
CID 4963983
N-[4-amino-1-(1H-benzimidazol-2-yl)butyl]-2,3,5-trimethylbenzamide;ethane;trifluoromethyl acetate
CID 176698921
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide?
The IUPAC name of N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide (CID 166563053) is N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide.
What is the SMILES notation for N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide?
The canonical SMILES for N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide is NCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide?
The InChIKey is UQUIZTBPNGPYOJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O/c19-12-6-11-16(22-18(23)13-7-2-1-3-8-13)17-20-14-9-4-5-10-15(14)21-17/h1-5,7-10,16H,6,11-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide?
N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide is sourced from PubChem (CID 166563053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).