1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea

C19H27N5O — CID 86994064

IUPAC1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
SMILESO=C(NCCCn1cnc2ccccc21)NC1CCN(C2CC2)CC1
InChIInChI=1S/C19H27N5O/c25-19(22-15-8-12-23(13-9-15)16-6-7-16)20-10-3-11-24-14-21-17-4-1-2-5-18(17)24/h1-2,4-5,14-16H,3,6-13H2,(H2,20,22,25)
InChIKeyBLJBWKWLKYROAU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.35
Rot. Bonds6

About 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea

1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea (PubChem CID 86994064) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
PubChem CID86994064
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea
SMILESO=C(NCCCn1cnc2ccccc21)NC1CCN(C2CC2)CC1
InChIInChI=1S/C19H27N5O/c25-19(22-15-8-12-23(13-9-15)16-6-7-16)20-10-3-11-24-14-21-17-4-1-2-5-18(17)24/h1-2,4-5,14-16H,3,6-13H2,(H2,20,22,25)
InChIKeyBLJBWKWLKYROAU-UHFFFAOYSA-N
XLogP2.35
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
1-[3-(benzimidazol-1-yl)propyl]-3-(1-benzylpiperidin-4-yl)-2-methylguanidine
CID 110987006
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 55408023
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 61250242
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
N-[3-(benzimidazol-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119834571
1-[3-(benzimidazol-1-yl)propyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55740162
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
(E)-4-[3-(benzimidazol-1-yl)propylamino]-4-oxobut-2-enoic acid
CID 60940726
N-[3-(benzimidazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 60708513

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The IUPAC name of 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea (CID 86994064) is 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The canonical SMILES for 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea is O=C(NCCCn1cnc2ccccc21)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
The InChIKey is BLJBWKWLKYROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-19(22-15-8-12-23(13-9-15)16-6-7-16)20-10-3-11-24-14-21-17-4-1-2-5-18(17)24/h1-2,4-5,14-16H,3,6-13H2,(H2,20,22,25).
What are the key properties of 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea?
1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea has a molecular weight of 341.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzimidazol-1-yl)propyl]-3-(1-cyclopropylpiperidin-4-yl)urea is sourced from PubChem (CID 86994064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).