2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide

C20H18ClN5O2 — CID 131893501

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCOc1cccc(-n2cc(CNC(=O)Cc3nc4ccc(Cl)cc4[nH]3)cn2)c1
InChIInChI=1S/C20H18ClN5O2/c1-28-16-4-2-3-15(8-16)26-12-13(11-23-26)10-22-20(27)9-19-24-17-6-5-14(21)7-18(17)25-19/h2-8,11-12H,9-10H2,1H3,(H,22,27)(H,24,25)
InChIKeyGIRJTFADMMDQKI-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.27
Rot. Bonds6

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide

2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide (PubChem CID 131893501) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
PubChem CID131893501
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCOc1cccc(-n2cc(CNC(=O)Cc3nc4ccc(Cl)cc4[nH]3)cn2)c1
InChIInChI=1S/C20H18ClN5O2/c1-28-16-4-2-3-15(8-16)26-12-13(11-23-26)10-22-20(27)9-19-24-17-6-5-14(21)7-18(17)25-19/h2-8,11-12H,9-10H2,1H3,(H,22,27)(H,24,25)
InChIKeyGIRJTFADMMDQKI-UHFFFAOYSA-N
XLogP3.27
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 131948284
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CID 42368417
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N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911334
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2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide
CID 86968645
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 86969971
N-[(4-chlorophenyl)methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2610643
(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide (CID 131893501) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide is COc1cccc(-n2cc(CNC(=O)Cc3nc4ccc(Cl)cc4[nH]3)cn2)c1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
The InChIKey is GIRJTFADMMDQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-28-16-4-2-3-15(8-16)26-12-13(11-23-26)10-22-20(27)9-19-24-17-6-5-14(21)7-18(17)25-19/h2-8,11-12H,9-10H2,1H3,(H,22,27)(H,24,25).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide?
2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide has a molecular weight of 395.85 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 131893501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).