2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide

C27H29N3O — CID 70013857

IUPAC2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C27H29N3O/c1-5-15-29(27(31)26-20(3)16-19(2)17-21(26)4)18-25-28-23-13-9-10-14-24(23)30(25)22-11-7-6-8-12-22/h6-14,16-17H,5,15,18H2,1-4H3
InChIKeyWLRRNZKIPFSKDA-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.00
Rot. Bonds6

About 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide

2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide (PubChem CID 70013857) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
PubChem CID70013857
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C27H29N3O/c1-5-15-29(27(31)26-20(3)16-19(2)17-21(26)4)18-25-28-23-13-9-10-14-24(23)30(25)22-11-7-6-8-12-22/h6-14,16-17H,5,15,18H2,1-4H3
InChIKeyWLRRNZKIPFSKDA-UHFFFAOYSA-N
XLogP6.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
CID 70012357
2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70015882
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732504
N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511837
N-[[1-(2-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511814
N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 18734660
N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511843
2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
CID 119206156
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
N,N-dipropylacridine-9-carboxamide
CID 170440983
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The IUPAC name of 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide (CID 70013857) is 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide is CCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The InChIKey is WLRRNZKIPFSKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-5-15-29(27(31)26-20(3)16-19(2)17-21(26)4)18-25-28-23-13-9-10-14-24(23)30(25)22-11-7-6-8-12-22/h6-14,16-17H,5,15,18H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide has a molecular weight of 411.55 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 70013857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).