N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine

C23H30N4O2 — CID 118096520

IUPACN-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
SMILESCNC.COc1cccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1
InChIInChI=1S/C21H23N3O2.C2H7N/c1-26-17-9-5-8-15(12-17)21(25)22-16-10-11-18-19(13-16)24-20(23-18)14-6-3-2-4-7-14;1-3-2/h5,8-14H,2-4,6-7H2,1H3,(H,22,25)(H,23,24);3H,1-2H3
InChIKeyOBAVIDACRIRKMY-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.71
Rot. Bonds4

About N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine (PubChem CID 118096520) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine.

Molecular Properties

Compound NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
PubChem CID118096520
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
SMILESCNC.COc1cccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1
InChIInChI=1S/C21H23N3O2.C2H7N/c1-26-17-9-5-8-15(12-17)21(25)22-16-10-11-18-19(13-16)24-20(23-18)14-6-3-2-4-7-14;1-3-2/h5,8-14H,2-4,6-7H2,1H3,(H,22,25)(H,23,24);3H,1-2H3
InChIKeyOBAVIDACRIRKMY-UHFFFAOYSA-N
XLogP4.71
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
CID 119183366
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine
CID 118096485
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine
CID 118096420
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine?
The IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine (CID 118096520) is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine.
What is the SMILES notation for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine?
The canonical SMILES for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine is CNC.COc1cccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1.
What is the InChIKey of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine?
The InChIKey is OBAVIDACRIRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C2H7N/c1-26-17-9-5-8-15(12-17)21(25)22-16-10-11-18-19(13-16)24-20(23-18)14-6-3-2-4-7-14;1-3-2/h5,8-14H,2-4,6-7H2,1H3,(H,22,25)(H,23,24);3H,1-2H3.
What are the key properties of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine?
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine has a molecular weight of 394.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine is sourced from PubChem (CID 118096520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).