N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide

C21H21N5O — CID 49046843

IUPACN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)n1ccnc1
InChIInChI=1S/C21H21N5O/c1-16(25-11-10-22-14-25)21(27)23-12-17-6-8-18(9-7-17)13-26-15-24-19-4-2-3-5-20(19)26/h2-11,14-16H,12-13H2,1H3,(H,23,27)
InChIKeyMJJUWMPGNVIEOA-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.16
Rot. Bonds6

About N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide (PubChem CID 49046843) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
PubChem CID49046843
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)n1ccnc1
InChIInChI=1S/C21H21N5O/c1-16(25-11-10-22-14-25)21(27)23-12-17-6-8-18(9-7-17)13-26-15-24-19-4-2-3-5-20(19)26/h2-11,14-16H,12-13H2,1H3,(H,23,27)
InChIKeyMJJUWMPGNVIEOA-UHFFFAOYSA-N
XLogP3.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799330
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 48962748
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60604713
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868689
1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
CID 40698685
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
tert-butyl N-[4-[[4-(benzimidazol-1-ylmethyl)phenyl]methylcarbamoylamino]butan-2-yl]-N-methylcarbamate
CID 146146014
1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 49046964

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide (CID 49046843) is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide is CC(C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)n1ccnc1.
What is the InChIKey of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide?
The InChIKey is MJJUWMPGNVIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-16(25-11-10-22-14-25)21(27)23-12-17-6-8-18(9-7-17)13-26-15-24-19-4-2-3-5-20(19)26/h2-11,14-16H,12-13H2,1H3,(H,23,27).
What are the key properties of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide?
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide has a molecular weight of 359.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 49046843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).