N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide

C22H26N4O2 — CID 59530501

IUPACN-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCCN(CC)c1cc2nc(-c3ccccc3OC)[nH]c2cc1NC(=O)C1CC1
InChIInChI=1S/C22H26N4O2/c1-4-26(5-2)19-13-17-16(12-18(19)25-22(27)14-10-11-14)23-21(24-17)15-8-6-7-9-20(15)28-3/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyKEHFKBQCJAFTLS-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.43
Rot. Bonds7

About N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide

N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide (PubChem CID 59530501) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide
PubChem CID59530501
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCCN(CC)c1cc2nc(-c3ccccc3OC)[nH]c2cc1NC(=O)C1CC1
InChIInChI=1S/C22H26N4O2/c1-4-26(5-2)19-13-17-16(12-18(19)25-22(27)14-10-11-14)23-21(24-17)15-8-6-7-9-20(15)28-3/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyKEHFKBQCJAFTLS-UHFFFAOYSA-N
XLogP4.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide
CID 59530585
prop-2-enyl N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]carbamate
CID 59530504
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
CID 59530587
4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
CID 59530546
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
CID 59530569
4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
CID 68511451
4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 59530548
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
ethanol;N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163251075
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 166218130
N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]butanamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]cyclopentanecarboxamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]pentanamide;propyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate
CID 159511219

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide (CID 59530501) is N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide is CCN(CC)c1cc2nc(-c3ccccc3OC)[nH]c2cc1NC(=O)C1CC1.
What is the InChIKey of N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide?
The InChIKey is KEHFKBQCJAFTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-26(5-2)19-13-17-16(12-18(19)25-22(27)14-10-11-14)23-21(24-17)15-8-6-7-9-20(15)28-3/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,23,24)(H,25,27).
What are the key properties of N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide?
N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59530501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).