N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide

C20H21N3O — CID 47012382

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCCn1c(CNC(=O)C2(c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-2-23-17-11-7-6-10-16(17)22-18(23)14-21-19(24)20(12-13-20)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,24)
InChIKeyMTTMWFUTHPVUHE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.40
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 47012382) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID47012382
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCCn1c(CNC(=O)C2(c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C20H21N3O/c1-2-23-17-11-7-6-10-16(17)22-18(23)14-21-19(24)20(12-13-20)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,24)
InChIKeyMTTMWFUTHPVUHE-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 17484999
1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 55539115
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
CID 75489193
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 24549089
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768200
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 47012382) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide is CCn1c(CNC(=O)C2(c3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is MTTMWFUTHPVUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-23-17-11-7-6-10-16(17)22-18(23)14-21-19(24)20(12-13-20)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,24).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 47012382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).