N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide

C20H24N4O2 — CID 121241058

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCc1ccc2nc(CNC(=O)CC3(n4cccc4)CCOCC3)[nH]c2c1
InChIInChI=1S/C20H24N4O2/c1-15-4-5-16-17(12-15)23-18(22-16)14-21-19(25)13-20(6-10-26-11-7-20)24-8-2-3-9-24/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3,(H,21,25)(H,22,23)
InChIKeyUDVNUNFTNMFSHQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.89
Rot. Bonds5

About N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide (PubChem CID 121241058) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
PubChem CID121241058
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
SMILESCc1ccc2nc(CNC(=O)CC3(n4cccc4)CCOCC3)[nH]c2c1
InChIInChI=1S/C20H24N4O2/c1-15-4-5-16-17(12-15)23-18(22-16)14-21-19(25)13-20(6-10-26-11-7-20)24-8-2-3-9-24/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3,(H,21,25)(H,22,23)
InChIKeyUDVNUNFTNMFSHQ-UHFFFAOYSA-N
XLogP2.89
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 92708257
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
CID 75489438
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71827812
3-methyl-1-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004654
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70779648
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 125433670
2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
CID 30158519

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide (CID 121241058) is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide is Cc1ccc2nc(CNC(=O)CC3(n4cccc4)CCOCC3)[nH]c2c1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
The InChIKey is UDVNUNFTNMFSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-4-5-16-17(12-15)23-18(22-16)14-21-19(25)13-20(6-10-26-11-7-20)24-8-2-3-9-24/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide?
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide is sourced from PubChem (CID 121241058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).