N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide

C16H15N3O2 — CID 90027417

IUPACN-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15N3O2/c1-19(15(20)11-7-3-6-10-14(11)21-2)16-17-12-8-4-5-9-13(12)18-16/h3-10H,1-2H3,(H,17,18)
InChIKeyKUUKZHALQQDUTN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.85
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide

N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide (PubChem CID 90027417) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
PubChem CID90027417
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15N3O2/c1-19(15(20)11-7-3-6-10-14(11)21-2)16-17-12-8-4-5-9-13(12)18-16/h3-10H,1-2H3,(H,17,18)
InChIKeyKUUKZHALQQDUTN-UHFFFAOYSA-N
XLogP2.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
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N,N-dimethyl-1H-benzimidazol-2-amine
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methyl N-(1H-benzimidazol-2-yl)-N-nitrosocarbamate
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N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42919415
N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
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N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide (CID 90027417) is N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide is COc1ccccc1C(=O)N(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide?
The InChIKey is KUUKZHALQQDUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(15(20)11-7-3-6-10-14(11)21-2)16-17-12-8-4-5-9-13(12)18-16/h3-10H,1-2H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide?
N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide has a molecular weight of 281.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 90027417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).