2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C18H20F3N3O — CID 90640645

IUPAC2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCCc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C18H20F3N3O/c1-11-23-15-7-4-13(10-16(15)24-11)17(25)22-9-8-12-2-5-14(6-3-12)18(19,20)21/h2-3,5-6,13H,4,7-10H2,1H3,(H,22,25)(H,23,24)
InChIKeyIUQIZQJQRQOCGN-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640645) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640645
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCCc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C18H20F3N3O/c1-11-23-15-7-4-13(10-16(15)24-11)17(25)22-9-8-12-2-5-14(6-3-12)18(19,20)21/h2-3,5-6,13H,4,7-10H2,1H3,(H,22,25)(H,23,24)
InChIKeyIUQIZQJQRQOCGN-UHFFFAOYSA-N
XLogP3.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-2-methyl-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664205
2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640337
N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640349
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453
N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640525
N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680730
(5R)-2-methyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664502
(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664804
N-[(3-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640514
(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 97347656
2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640625
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 154770748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640645) is 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NCCc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is IUQIZQJQRQOCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-11-23-15-7-4-13(10-16(15)24-11)17(25)22-9-8-12-2-5-14(6-3-12)18(19,20)21/h2-3,5-6,13H,4,7-10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).