N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide

C21H20N4O — CID 39047383

IUPACN-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
SMILESCn1c(Cn2ccc3ccccc32)nc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C21H20N4O/c1-24-19-9-8-16(22-21(26)15-6-7-15)12-17(19)23-20(24)13-25-11-10-14-4-2-3-5-18(14)25/h2-5,8-12,15H,6-7,13H2,1H3,(H,22,26)
InChIKeyLPJVDNGHVYVLCL-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.92
Rot. Bonds4

About N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide

N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide (PubChem CID 39047383) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
PubChem CID39047383
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
SMILESCn1c(Cn2ccc3ccccc32)nc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C21H20N4O/c1-24-19-9-8-16(22-21(26)15-6-7-15)12-17(19)23-20(24)13-25-11-10-14-4-2-3-5-18(14)25/h2-5,8-12,15H,6-7,13H2,1H3,(H,22,26)
InChIKeyLPJVDNGHVYVLCL-UHFFFAOYSA-N
XLogP3.92
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17244499
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 166213314
N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218632
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopropanecarboxamide
CID 155948618
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218678
N-[2-(5-acetamido-1-methylbenzimidazol-2-yl)ethyl]cyclopentanecarboxamide
CID 46270354
N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide (CID 39047383) is N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide is Cn1c(Cn2ccc3ccccc32)nc2cc(NC(=O)C3CC3)ccc21.
What is the InChIKey of N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide?
The InChIKey is LPJVDNGHVYVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-24-19-9-8-16(22-21(26)15-6-7-15)12-17(19)23-20(24)13-25-11-10-14-4-2-3-5-18(14)25/h2-5,8-12,15H,6-7,13H2,1H3,(H,22,26).
What are the key properties of N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide?
N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 39047383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).