N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide

C26H34N4O — CID 72793866

IUPACN-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(CC)CC)cc1
InChIInChI=1S/C26H34N4O/c1-4-18-12-14-20(15-13-18)26(31)29-23-16-21-22(17-24(23)30(5-2)6-3)28-25(27-21)19-10-8-7-9-11-19/h12-17,19H,4-11H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyGBDQWPGWVWZXGT-UHFFFAOYSA-N
MW418.59 g/mol
LogP6.27
Rot. Bonds7

About N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide

N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide (PubChem CID 72793866) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide
PubChem CID72793866
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC NameN-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(CC)CC)cc1
InChIInChI=1S/C26H34N4O/c1-4-18-12-14-20(15-13-18)26(31)29-23-16-21-22(17-24(23)30(5-2)6-3)28-25(27-21)19-10-8-7-9-11-19/h12-17,19H,4-11H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyGBDQWPGWVWZXGT-UHFFFAOYSA-N
XLogP6.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide
CID 25101001
N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide
CID 71738019
1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea
CID 72793846
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
N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 72793662
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
CID 68511451
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
CID 59530587
4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 59530548
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
CID 59530546

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide?
The IUPAC name of N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide (CID 72793866) is N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide?
The canonical SMILES for N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(CC)CC)cc1.
What is the InChIKey of N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide?
The InChIKey is GBDQWPGWVWZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-4-18-12-14-20(15-13-18)26(31)29-23-16-21-22(17-24(23)30(5-2)6-3)28-25(27-21)19-10-8-7-9-11-19/h12-17,19H,4-11H2,1-3H3,(H,27,28)(H,29,31).
What are the key properties of N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide?
N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide has a molecular weight of 418.59 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide is sourced from PubChem (CID 72793866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).