4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

C22H26N4O — CID 56668799

IUPAC4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C(C)C)C2)cc1
InChIInChI=1S/C22H26N4O/c1-15(2)25-13-12-18(14-25)24-22(27)17-8-10-19(11-9-17)26-16(3)23-20-6-4-5-7-21(20)26/h4-11,15,18H,12-14H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyCAEPBANEFIQOIS-GOSISDBHSA-N
MW362.48 g/mol
LogP3.55
Rot. Bonds4

About 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 56668799) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID56668799
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C(C)C)C2)cc1
InChIInChI=1S/C22H26N4O/c1-15(2)25-13-12-18(14-25)24-22(27)17-8-10-19(11-9-17)26-16(3)23-20-6-4-5-7-21(20)26/h4-11,15,18H,12-14H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyCAEPBANEFIQOIS-GOSISDBHSA-N
XLogP3.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 56668799) is 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is Cc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C(C)C)C2)cc1.
What is the InChIKey of 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is CAEPBANEFIQOIS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(2)25-13-12-18(14-25)24-22(27)17-8-10-19(11-9-17)26-16(3)23-20-6-4-5-7-21(20)26/h4-11,15,18H,12-14H2,1-3H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 362.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 56668799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).