(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one

C18H24N4O — CID 95585308

IUPAC(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCN(CC2CC2)CC1)n1cnc2ccccc21
InChIInChI=1S/C18H24N4O/c1-14(22-13-19-16-4-2-3-5-17(16)22)18(23)21-10-8-20(9-11-21)12-15-6-7-15/h2-5,13-15H,6-12H2,1H3/t14-/m1/s1
InChIKeyIMFRFIAQSKHTBN-CQSZACIVSA-N
MW312.42 g/mol
LogP2.15
Rot. Bonds4

About (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one

(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 95585308) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
PubChem CID95585308
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCN(CC2CC2)CC1)n1cnc2ccccc21
InChIInChI=1S/C18H24N4O/c1-14(22-13-19-16-4-2-3-5-17(16)22)18(23)21-10-8-20(9-11-21)12-15-6-7-15/h2-5,13-15H,6-12H2,1H3/t14-/m1/s1
InChIKeyIMFRFIAQSKHTBN-CQSZACIVSA-N
XLogP2.15
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one (CID 95585308) is (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one is C[C@H](C(=O)N1CCN(CC2CC2)CC1)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is IMFRFIAQSKHTBN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(22-13-19-16-4-2-3-5-17(16)22)18(23)21-10-8-20(9-11-21)12-15-6-7-15/h2-5,13-15H,6-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one?
(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95585308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).