1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide

C15H20N4O — CID 119866200

IUPAC1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCCn1c(C(C)NC(=O)C2(N)CC2)nc2ccccc21
InChIInChI=1S/C15H20N4O/c1-3-19-12-7-5-4-6-11(12)18-13(19)10(2)17-14(20)15(16)8-9-15/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20)
InChIKeyLKMXDORNMYQMJX-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.72
Rot. Bonds4

About 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 119866200) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID119866200
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCCn1c(C(C)NC(=O)C2(N)CC2)nc2ccccc21
InChIInChI=1S/C15H20N4O/c1-3-19-12-7-5-4-6-11(12)18-13(19)10(2)17-14(20)15(16)8-9-15/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20)
InChIKeyLKMXDORNMYQMJX-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953447
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95234003
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119866268
3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119866217
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119866267
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide (CID 119866200) is 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide is CCn1c(C(C)NC(=O)C2(N)CC2)nc2ccccc21.
What is the InChIKey of 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LKMXDORNMYQMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-19-12-7-5-4-6-11(12)18-13(19)10(2)17-14(20)15(16)8-9-15/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119866200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).