1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea

C18H27N5O — CID 71973726

IUPAC1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(CNC(=O)NCCCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H27N5O/c1-23-11-5-6-14(13-23)12-20-18(24)19-10-4-9-17-21-15-7-2-3-8-16(15)22-17/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,21,22)(H2,19,20,24)
InChIKeyGRCXLTQSWBVMMX-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.14
Rot. Bonds6

About 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea

1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea (PubChem CID 71973726) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
PubChem CID71973726
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(CNC(=O)NCCCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H27N5O/c1-23-11-5-6-14(13-23)12-20-18(24)19-10-4-9-17-21-15-7-2-3-8-16(15)22-17/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,21,22)(H2,19,20,24)
InChIKeyGRCXLTQSWBVMMX-UHFFFAOYSA-N
XLogP2.14
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea
CID 56793699
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 86800699
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 56786848
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
CID 56807296
1-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 24612836
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 118768183
N-[5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2-methylphenyl]-1-methylpyrrolidine-3-carboxamide
CID 172671198
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea (CID 71973726) is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea is CN1CCCC(CNC(=O)NCCCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The InChIKey is GRCXLTQSWBVMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-23-11-5-6-14(13-23)12-20-18(24)19-10-4-9-17-21-15-7-2-3-8-16(15)22-17/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,21,22)(H2,19,20,24).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea has a molecular weight of 329.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 71973726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).