N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

C20H21N3O2 — CID 110437986

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NC(C)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H21N3O2/c1-13(18-22-15-8-4-5-9-16(15)23-18)21-19(24)20(11-12-20)14-7-3-6-10-17(14)25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBOABKAUFSCFLDK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.48
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 110437986) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID110437986
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NC(C)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H21N3O2/c1-13(18-22-15-8-4-5-9-16(15)23-18)21-19(24)20(11-12-20)14-7-3-6-10-17(14)25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyBOABKAUFSCFLDK-UHFFFAOYSA-N
XLogP3.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 2328668
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 78925715
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220664
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18116436
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 110437986) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NC(C)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is BOABKAUFSCFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(18-22-15-8-4-5-9-16(15)23-18)21-19(24)20(11-12-20)14-7-3-6-10-17(14)25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110437986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).