4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide

C23H29N3O — CID 101442234

IUPAC4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(-c2nc3ccccc3n2C)cc1
InChIInChI=1S/C23H29N3O/c1-16(2)14-26(15-17(3)4)23(27)19-12-10-18(11-13-19)22-24-20-8-6-7-9-21(20)25(22)5/h6-13,16-17H,14-15H2,1-5H3
InChIKeyYXZIXGZCGRDCNS-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.99
Rot. Bonds6

About 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide

4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide (PubChem CID 101442234) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide
PubChem CID101442234
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(-c2nc3ccccc3n2C)cc1
InChIInChI=1S/C23H29N3O/c1-16(2)14-26(15-17(3)4)23(27)19-12-10-18(11-13-19)22-24-20-8-6-7-9-21(20)25(22)5/h6-13,16-17H,14-15H2,1-5H3
InChIKeyYXZIXGZCGRDCNS-UHFFFAOYSA-N
XLogP4.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19243215
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976638
3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
CID 167855437
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride
CID 119822813
ethane;1-methyl-2-[4-[(2E,5E)-octa-2,5,7-trien-2-yl]phenyl]benzimidazole
CID 142453469
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide (CID 101442234) is 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1ccc(-c2nc3ccccc3n2C)cc1.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is YXZIXGZCGRDCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16(2)14-26(15-17(3)4)23(27)19-12-10-18(11-13-19)22-24-20-8-6-7-9-21(20)25(22)5/h6-13,16-17H,14-15H2,1-5H3.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide?
4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 363.51 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 101442234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).