N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide

C18H16F2N4OS — CID 166244981

IUPACN-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ncc(Cc2c(F)cccc2F)s1)C1CCCc2[nH]cnc21
InChIInChI=1S/C18H16F2N4OS/c19-13-4-2-5-14(20)12(13)7-10-8-21-18(26-10)24-17(25)11-3-1-6-15-16(11)23-9-22-15/h2,4-5,8-9,11H,1,3,6-7H2,(H,22,23)(H,21,24,25)
InChIKeyUKUZJPSSYDMVJH-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.79
Rot. Bonds4

About N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide

N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide (PubChem CID 166244981) has the molecular formula C18H16F2N4OS and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
PubChem CID166244981
Molecular FormulaC18H16F2N4OS
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ncc(Cc2c(F)cccc2F)s1)C1CCCc2[nH]cnc21
InChIInChI=1S/C18H16F2N4OS/c19-13-4-2-5-14(20)12(13)7-10-8-21-18(26-10)24-17(25)11-3-1-6-15-16(11)23-9-22-15/h2,4-5,8-9,11H,1,3,6-7H2,(H,22,23)(H,21,24,25)
InChIKeyUKUZJPSSYDMVJH-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 138058437
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 166277331
(4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 124843173
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
CID 167327101
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 167980749
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286816
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide (CID 166244981) is N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide is O=C(Nc1ncc(Cc2c(F)cccc2F)s1)C1CCCc2[nH]cnc21.
What is the InChIKey of N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The InChIKey is UKUZJPSSYDMVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4OS/c19-13-4-2-5-14(20)12(13)7-10-8-21-18(26-10)24-17(25)11-3-1-6-15-16(11)23-9-22-15/h2,4-5,8-9,11H,1,3,6-7H2,(H,22,23)(H,21,24,25).
What are the key properties of N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 166244981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).