6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide

C23H30N4O2 — CID 23393837

IUPAC6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide
SMILESCCN(CC)CCc1ccc2[nH]c(=O)n(C(=O)Nc3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C23H30N4O2/c1-5-26(6-2)14-13-17-7-12-20-21(15-17)27(23(29)25-20)22(28)24-19-10-8-18(9-11-19)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyXRPWQFKYTNIIBE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.42
Rot. Bonds7

About 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide

6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide (PubChem CID 23393837) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound Name6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide
PubChem CID23393837
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide
SMILESCCN(CC)CCc1ccc2[nH]c(=O)n(C(=O)Nc3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C23H30N4O2/c1-5-26(6-2)14-13-17-7-12-20-21(15-17)27(23(29)25-20)22(28)24-19-10-8-18(9-11-19)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyXRPWQFKYTNIIBE-UHFFFAOYSA-N
XLogP4.42
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane
CID 142169951
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696
N-[4-(butylaminomethyl)phenyl]-5,6-dichloro-2-oxo-3H-benzimidazole-1-carboxamide
CID 142068066
N-[4-(butylaminomethyl)phenyl]-5,6-dichloro-2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
CID 142068065
N-[4-(aminomethyl)phenyl]-5-chloro-2-oxo-3H-benzimidazole-1-carboxamide
CID 70094602
5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110874390
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide
CID 119048340
(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323883
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 100550206

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide?
The IUPAC name of 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide (CID 23393837) is 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide?
The canonical SMILES for 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide is CCN(CC)CCc1ccc2[nH]c(=O)n(C(=O)Nc3ccc(C(C)C)cc3)c2c1.
What is the InChIKey of 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide?
The InChIKey is XRPWQFKYTNIIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-5-26(6-2)14-13-17-7-12-20-21(15-17)27(23(29)25-20)22(28)24-19-10-8-18(9-11-19)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide?
6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethyl]-2-oxo-N-(4-propan-2-ylphenyl)-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 23393837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).