N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate

C19H15FN5O2- — CID 21241858

IUPACN-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate
SMILESCc1cncn1C(c1ccc(F)cc1)c1ccc2nc(NC(=O)[O-])[nH]c2c1
InChIInChI=1S/C19H16FN5O2/c1-11-9-21-10-25(11)17(12-2-5-14(20)6-3-12)13-4-7-15-16(8-13)23-18(22-15)24-19(26)27/h2-10,17H,1H3,(H,26,27)(H2,22,23,24)/p-1
InChIKeyJAGQBUXLGVLYOE-UHFFFAOYSA-M
MW364.36 g/mol
LogP2.60
Rot. Bonds4

About N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate

N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 21241858) has the molecular formula C19H15FN5O2- and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID21241858
Molecular FormulaC19H15FN5O2-
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate
SMILESCc1cncn1C(c1ccc(F)cc1)c1ccc2nc(NC(=O)[O-])[nH]c2c1
InChIInChI=1S/C19H16FN5O2/c1-11-9-21-10-25(11)17(12-2-5-14(20)6-3-12)13-4-7-15-16(8-13)23-18(22-15)24-19(26)27/h2-10,17H,1H3,(H,26,27)(H2,22,23,24)/p-1
InChIKeyJAGQBUXLGVLYOE-UHFFFAOYSA-M
XLogP2.60
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-[(4-fluorophenyl)-(4-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate
CID 14500558
[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamic acid
CID 19105251
[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
CID 67842381
N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate
CID 21241839
[6-(1-imidazol-1-ylbutyl)-1H-benzimidazol-2-yl]carbamic acid
CID 21241849
[6-[(Z)-C-(4-fluorophenyl)-N-oxidocarbonimidoyl]-1H-benzimidazol-2-yl]carbamic acid
CID 54715713
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
6-fluoro-N-(1-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294715
[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 70609051
1-tert-butyl-3-(6-methyl-1H-benzimidazol-2-yl)urea
CID 102320538
6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 103295041
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate (CID 21241858) is N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate is Cc1cncn1C(c1ccc(F)cc1)c1ccc2nc(NC(=O)[O-])[nH]c2c1.
What is the InChIKey of N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is JAGQBUXLGVLYOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16FN5O2/c1-11-9-21-10-25(11)17(12-2-5-14(20)6-3-12)13-4-7-15-16(8-13)23-18(22-15)24-19(26)27/h2-10,17H,1H3,(H,26,27)(H2,22,23,24)/p-1.
What are the key properties of N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate?
N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 364.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 21241858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).