N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

C20H20N4O3 — CID 131894278

IUPACN-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C20H20N4O3/c25-18(21-11-13-3-8-16-17(9-13)24-20(27)23-16)10-12-1-6-15(7-2-12)22-19(26)14-4-5-14/h1-3,6-9,14H,4-5,10-11H2,(H,21,25)(H,22,26)(H2,23,24,27)
InChIKeyRHDMRTWAOWGWJX-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.06
Rot. Bonds6

About N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 131894278) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID131894278
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C20H20N4O3/c25-18(21-11-13-3-8-16-17(9-13)24-20(27)23-16)10-12-1-6-15(7-2-12)22-19(26)14-4-5-14/h1-3,6-9,14H,4-5,10-11H2,(H,21,25)(H,22,26)(H2,23,24,27)
InChIKeyRHDMRTWAOWGWJX-UHFFFAOYSA-N
XLogP2.06
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclohexane-1-carboxamide
CID 42982642
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851
N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24566999
2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]sulfanylacetic acid
CID 120550099
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 131894278) is N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is RHDMRTWAOWGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18(21-11-13-3-8-16-17(9-13)24-20(27)23-16)10-12-1-6-15(7-2-12)22-19(26)14-4-5-14/h1-3,6-9,14H,4-5,10-11H2,(H,21,25)(H,22,26)(H2,23,24,27).
What are the key properties of N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 131894278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).